N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide

C18H32N2O2 — CID 56643353

IUPACN-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
SMILESCCCCCN1CCCCC(NC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-2-3-8-13-20-14-9-7-12-16(18(20)22)19-17(21)15-10-5-4-6-11-15/h15-16H,2-14H2,1H3,(H,19,21)
InChIKeyBWCUVDKSAUYMQE-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.25
Rot. Bonds6

About N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide

N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide (PubChem CID 56643353) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
PubChem CID56643353
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
SMILESCCCCCN1CCCCC(NC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C18H32N2O2/c1-2-3-8-13-20-14-9-7-12-16(18(20)22)19-17(21)15-10-5-4-6-11-15/h15-16H,2-14H2,1H3,(H,19,21)
InChIKeyBWCUVDKSAUYMQE-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide (CID 56643353) is N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide is CCCCCN1CCCCC(NC(=O)C2CCCCC2)C1=O.
What is the InChIKey of N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide?
The InChIKey is BWCUVDKSAUYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-3-8-13-20-14-9-7-12-16(18(20)22)19-17(21)15-10-5-4-6-11-15/h15-16H,2-14H2,1H3,(H,19,21).
What are the key properties of N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide?
N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 56643353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).